#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:00:15 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179044 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/06/4300617.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4300617
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051659e
_journal_year                    2006
_chemical_formula_sum            'C34 H38 Ag2 B2 F8 N8'
_chemical_formula_weight         948.08
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.968(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.763(11)
_cell_length_b                   30.127(12)
_cell_length_c                   6.690(3)
_cell_measurement_temperature    110(2)
_cell_volume                     3779(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.666
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300617
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.050258(14) 0.564897(9) 0.26856(4) 0.02478(9) Uani 1 1 d . . .
Ag2 Ag 0.452354(14) 0.747508(9) 0.19364(4) 0.02328(9) Uani 1 1 d . . .
B1 B 0.3358(2) 0.48400(14) 0.2953(6) 0.0254(8) Uani 0.25(2) 1 d PD . .
F1 F 0.2688(7) 0.5004(6) 0.344(4) 0.017(4) Uiso 0.25(2) 1 d PD . .
F2 F 0.3306(7) 0.4423(4) 0.206(3) 0.011(4) Uiso 0.25(2) 1 d PD . .
F3 F 0.3659(10) 0.5129(4) 0.163(2) 0.026(4) Uiso 0.25(2) 1 d PD . .
F4 F 0.3842(8) 0.4838(5) 0.456(3) 0.022(4) Uiso 0.25(2) 1 d PD . .
B1A B 0.3358(2) 0.48400(14) 0.2953(6) 0.0254(8) Uani 0.277(13) 1 d PD . .
F1A F 0.2763(6) 0.4970(5) 0.397(2) 0.043(4) Uiso 0.277(13) 1 d PD . .
F2A F 0.3292(8) 0.4397(4) 0.255(3) 0.038(5) Uiso 0.277(13) 1 d PD . .
F3A F 0.3407(9) 0.5087(4) 0.1186(16) 0.045(3) Uiso 0.277(13) 1 d PD . .
F4A F 0.3996(6) 0.4930(5) 0.395(3) 0.058(4) Uiso 0.277(13) 1 d PD . .
B1B B 0.3358(2) 0.48400(14) 0.2953(6) 0.0254(8) Uani 0.47(2) 1 d PD . .
F1B F 0.2717(5) 0.5071(4) 0.307(3) 0.058(4) Uani 0.47(2) 1 d PD . .
F2B F 0.3297(9) 0.4465(5) 0.178(3) 0.081(7) Uani 0.47(2) 1 d PD . .
F3B F 0.3862(8) 0.5131(2) 0.229(3) 0.065(4) Uani 0.47(2) 1 d PD . .
F4B F 0.3601(9) 0.4727(5) 0.4902(10) 0.067(3) Uani 0.47(2) 1 d PD . .
F5 F 0.82366(13) 0.36499(9) 0.2268(5) 0.0514(7) Uani 1 1 d . . .
F6 F 0.8080(2) 0.29030(11) 0.2175(5) 0.0748(11) Uani 1 1 d . . .
F7 F 0.90075(15) 0.32185(9) 0.0618(4) 0.0470(6) Uani 1 1 d . . .
F8 F 0.90036(15) 0.32012(9) 0.3990(4) 0.0474(6) Uani 1 1 d . . .
N1 N 0.13053(15) 0.61638(10) 0.2740(4) 0.0220(6) Uani 1 1 d . . .
H1C H 0.1229 0.6343 0.1638 0.026 Uiso 1 1 calc R . .
H1D H 0.1247 0.6336 0.3857 0.026 Uiso 1 1 calc R . .
N2 N 0.37048(15) 0.69926(9) 0.2333(4) 0.0207(6) Uani 1 1 d . . .
N3 N -0.06531(14) 0.54412(10) 0.2585(4) 0.0190(6) Uani 1 1 d . . .
N4 N 0.04800(14) 0.48752(10) 0.2489(4) 0.0184(6) Uani 1 1 d . . .
N5 N 0.56217(15) 0.76929(9) 0.1162(4) 0.0186(6) Uani 1 1 d . . .
N6 N 0.45298(14) 0.82511(10) 0.2029(4) 0.0204(6) Uani 1 1 d . . .
N7 N 0.1057(3) 0.30748(18) 0.5952(9) 0.0715(15) Uani 1 1 d . . .
N8 N 0.43319(19) 0.36673(12) 0.8729(5) 0.0343(8) Uani 1 1 d . . .
C1 C 0.20433(18) 0.60060(12) 0.2753(6) 0.0262(8) Uani 1 1 d . . .
H1A H 0.2095 0.5803 0.1605 0.031 Uiso 1 1 calc R . .
H1B H 0.2134 0.5831 0.3988 0.031 Uiso 1 1 calc R . .
C2 C 0.26121(18) 0.63616(12) 0.2649(5) 0.0211(7) Uani 1 1 d . . .
C3 C 0.24713(19) 0.68145(12) 0.2761(6) 0.0273(8) Uani 1 1 d . . .
H3 H 0.2000 0.6917 0.2952 0.033 Uiso 1 1 calc R . .
C4 C 0.30272(19) 0.71150(12) 0.2591(6) 0.0261(8) Uani 1 1 d . . .
H4 H 0.2922 0.7423 0.2661 0.031 Uiso 1 1 calc R . .
C5 C 0.38412(17) 0.65529(11) 0.2256(5) 0.0198(7) Uani 1 1 d . . .
H5 H 0.4319 0.6459 0.2096 0.024 Uiso 1 1 calc R . .
C6 C 0.33188(18) 0.62328(11) 0.2397(5) 0.0203(7) Uani 1 1 d . . .
H6 H 0.3439 0.5927 0.2324 0.024 Uiso 1 1 calc R . .
C7 C -0.12028(19) 0.57295(11) 0.2595(5) 0.0212(7) Uani 1 1 d . . .
H7 H -0.1094 0.6036 0.2733 0.025 Uiso 1 1 calc R . .
C8 C -0.19093(18) 0.56103(12) 0.2420(5) 0.0223(7) Uani 1 1 d . . .
C9 C -0.20558(18) 0.51587(12) 0.2208(6) 0.0253(7) Uani 1 1 d . . .
H9 H -0.2536 0.5060 0.2055 0.030 Uiso 1 1 calc R . .
C10 C -0.15010(18) 0.48518(12) 0.2218(5) 0.0244(7) Uani 1 1 d . . .
H10 H -0.1599 0.4543 0.2100 0.029 Uiso 1 1 calc R . .
C11 C -0.07969(17) 0.50040(11) 0.2406(4) 0.0167(6) Uani 1 1 d . . .
C12 C -0.2504(2) 0.59466(13) 0.2463(6) 0.0300(8) Uani 1 1 d . . .
H12A H -0.2301 0.6245 0.2620 0.045 Uiso 1 1 calc R . .
H12B H -0.2809 0.5882 0.3588 0.045 Uiso 1 1 calc R . .
H12C H -0.2788 0.5931 0.1208 0.045 Uiso 1 1 calc R . .
C13 C -0.01755(17) 0.46925(11) 0.2411(4) 0.0173(6) Uani 1 1 d . . .
C14 C -0.02662(19) 0.42314(12) 0.2336(5) 0.0227(7) Uani 1 1 d . . .
H14 H -0.0730 0.4105 0.2281 0.027 Uiso 1 1 calc R . .
C15 C 0.0333(2) 0.39630(12) 0.2343(5) 0.0253(7) Uani 1 1 d . . .
H15 H 0.0279 0.3650 0.2303 0.030 Uiso 1 1 calc R . .
C16 C 0.10119(19) 0.41470(12) 0.2409(5) 0.0238(7) Uani 1 1 d . . .
C17 C 0.10527(18) 0.46088(12) 0.2490(5) 0.0215(7) Uani 1 1 d . . .
H17 H 0.1512 0.4742 0.2548 0.026 Uiso 1 1 calc R . .
C18 C 0.1675(2) 0.38659(14) 0.2413(6) 0.0344(9) Uani 1 1 d . . .
H18A H 0.1662 0.3674 0.1228 0.052 Uiso 1 1 calc R . .
H18B H 0.1698 0.3682 0.3621 0.052 Uiso 1 1 calc R . .
H18C H 0.2095 0.4058 0.2392 0.052 Uiso 1 1 calc R . .
C19 C 0.61673(19) 0.74057(11) 0.0960(5) 0.0210(7) Uani 1 1 d . . .
H19 H 0.6063 0.7097 0.0949 0.025 Uiso 1 1 calc R . .
C20 C 0.68705(18) 0.75342(11) 0.0768(5) 0.0200(7) Uani 1 1 d . . .
C21 C 0.70057(19) 0.79932(12) 0.0786(5) 0.0222(7) Uani 1 1 d . . .
H21 H 0.7478 0.8099 0.0637 0.027 Uiso 1 1 calc R . .
C22 C 0.64532(18) 0.82904(12) 0.1019(5) 0.0226(7) Uani 1 1 d . . .
H22 H 0.6545 0.8600 0.1053 0.027 Uiso 1 1 calc R . .
C23 C 0.57602(17) 0.81322(11) 0.1205(4) 0.0174(6) Uani 1 1 d . . .
C24 C 0.74543(19) 0.71972(13) 0.0635(5) 0.0261(8) Uani 1 1 d . . .
H24A H 0.7700 0.7167 0.1945 0.039 Uiso 1 1 calc R . .
H24B H 0.7795 0.7294 -0.0353 0.039 Uiso 1 1 calc R . .
H24C H 0.7250 0.6911 0.0228 0.039 Uiso 1 1 calc R . .
C25 C 0.51446(17) 0.84382(11) 0.1496(5) 0.0177(6) Uani 1 1 d . . .
C26 C 0.51984(19) 0.88955(12) 0.1220(5) 0.0228(7) Uani 1 1 d . . .
H26 H 0.5634 0.9024 0.0829 0.027 Uiso 1 1 calc R . .
C27 C 0.4608(2) 0.91601(12) 0.1524(5) 0.0245(7) Uani 1 1 d . . .
H27 H 0.4639 0.9472 0.1336 0.029 Uiso 1 1 calc R . .
C28 C 0.39690(19) 0.89715(12) 0.2106(5) 0.0229(7) Uani 1 1 d . . .
C29 C 0.39612(19) 0.85105(12) 0.2322(5) 0.0225(7) Uani 1 1 d . . .
H29 H 0.3530 0.8373 0.2696 0.027 Uiso 1 1 calc R . .
C30 C 0.3314(2) 0.92455(13) 0.2458(6) 0.0303(8) Uani 1 1 d . . .
H30A H 0.3396 0.9431 0.3647 0.045 Uiso 1 1 calc R . .
H30B H 0.2907 0.9049 0.2663 0.045 Uiso 1 1 calc R . .
H30C H 0.3212 0.9435 0.1293 0.045 Uiso 1 1 calc R . .
C31 C 0.0563(3) 0.29173(17) 0.6575(8) 0.0478(12) Uani 1 1 d . . .
C32 C -0.0065(3) 0.2707(2) 0.7386(8) 0.0576(14) Uani 1 1 d . . .
H32A H 0.0042 0.2395 0.7696 0.086 Uiso 1 1 calc R . .
H32B H -0.0462 0.2722 0.6399 0.086 Uiso 1 1 calc R . .
H32C H -0.0196 0.2861 0.8610 0.086 Uiso 1 1 calc R . .
C33 C 0.44393(19) 0.40398(13) 0.8698(5) 0.0246(7) Uani 1 1 d . . .
C34 C 0.4596(3) 0.45126(14) 0.8630(7) 0.0404(10) Uani 1 1 d . . .
H34A H 0.5110 0.4556 0.8497 0.061 Uiso 1 1 calc R . .
H34B H 0.4444 0.4654 0.9865 0.061 Uiso 1 1 calc R . .
H34C H 0.4339 0.4647 0.7481 0.061 Uiso 1 1 calc R . .
B2 B 0.8568(3) 0.32370(15) 0.2263(7) 0.0327(10) Uani 1 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.161(3) . ?
Ag1 N3 2.256(3) . ?
Ag1 N4 2.335(3) . ?
Ag2 N2 2.138(3) . ?
Ag2 N5 2.240(3) . ?
Ag2 N6 2.339(3) . ?
Ag2 Ag2 3.3482(12) 4_576 ?
Ag2 Ag2 3.3482(13) 4_575 ?
B1 F2A 1.365(11) . ?
B1 F3B 1.374(7) . ?
B1 F4A 1.377(10) . ?
B1 F3 1.378(11) . ?
B1 F2B 1.379(9) . ?
B1 F1A 1.382(10) . ?
B1 F4 1.384(10) . ?
B1 F2 1.392(10) . ?
B1 F1B 1.395(8) . ?
B1 F1 1.400(11) . ?
B1 F3A 1.401(9) . ?
B1 F4B 1.408(7) . ?
F3 F3A 0.564(16) . ?
F3 F3B 0.575(19) . ?
F3 F4A 1.763(17) . ?
F4 F4A 0.58(2) . ?
F4 F4B 0.613(15) . ?
F4 F3B 1.758(17) . ?
F1A F1B 0.67(2) . ?
F2A F2B 0.56(4) . ?
F3A F3B 1.12(2) . ?
F4A F4B 1.17(3) . ?
F4A F3B 1.28(2) . ?
F5 B2 1.390(5) . ?
F6 B2 1.360(5) . ?
F7 B2 1.399(5) . ?
F8 B2 1.397(5) . ?
N1 C1 1.464(5) . ?
N1 H1C 0.9200 . ?
N1 H1D 0.9200 . ?
N2 C4 1.341(5) . ?
N2 C5 1.350(4) . ?
N3 C7 1.349(4) . ?
N3 C11 1.349(4) . ?
N4 C17 1.341(4) . ?
N4 C13 1.347(4) . ?
N5 C23 1.349(4) . ?
N5 C19 1.351(5) . ?
N6 C29 1.342(5) . ?
N6 C25 1.343(4) . ?
N7 C31 1.133(7) . ?
N8 C33 1.141(5) . ?
C1 C2 1.515(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.392(5) . ?
C2 C6 1.397(5) . ?
C3 C4 1.389(5) . ?
C3 H3 0.9500 . ?
C4 H4 0.9500 . ?
C5 C6 1.381(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.375(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.395(5) . ?
C8 C12 1.508(5) . ?
C9 C10 1.392(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.400(5) . ?
C10 H10 0.9500 . ?
C11 C13 1.497(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.400(5) . ?
C14 C15 1.385(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.394(5) . ?
C16 C18 1.504(5) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.385(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.406(5) . ?
C20 C24 1.498(5) . ?
C21 C22 1.383(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.394(5) . ?
C22 H22 0.9500 . ?
C23 C25 1.496(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.394(5) . ?
C26 C27 1.385(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.395(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.396(5) . ?
C28 C30 1.506(5) . ?
C29 H29 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.459(8) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.455(5) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
